N-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide

C22H23Cl2N3O2 — CID 91959219

IUPACN-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide
SMILESO=C(NCCCn1ncc2c(Cl)cccc21)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C22H23Cl2N3O2/c23-17-7-5-16(6-8-17)22(9-13-29-14-10-22)21(28)25-11-2-12-27-20-4-1-3-19(24)18(20)15-26-27/h1,3-8,15H,2,9-14H2,(H,25,28)
InChIKeyBUDHVCUIULINSK-UHFFFAOYSA-N
MW432.35 g/mol
LogP4.60
Rot. Bonds6

About N-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide

N-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide (PubChem CID 91959219) has the molecular formula C22H23Cl2N3O2 and a molecular weight of 432.35 g/mol. Its IUPAC name is N-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide
PubChem CID91959219
Molecular FormulaC22H23Cl2N3O2
Molecular Weight432.35 g/mol
Exact Mass431.12
IUPAC NameN-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide
SMILESO=C(NCCCn1ncc2c(Cl)cccc21)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C22H23Cl2N3O2/c23-17-7-5-16(6-8-17)22(9-13-29-14-10-22)21(28)25-11-2-12-27-20-4-1-3-19(24)18(20)15-26-27/h1,3-8,15H,2,9-14H2,(H,25,28)
InChIKeyBUDHVCUIULINSK-UHFFFAOYSA-N
XLogP4.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide
CID 91959194
N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide
CID 56731683
3-(4-chloroindazol-1-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 95754600
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide
CID 90613860
1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide
CID 124754889
4-(3-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]oxane-4-carboxamide
CID 75395579
1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide
CID 86985105
N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide
CID 56763634
N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939
4-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119352741
4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119128032
4-(3-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]oxane-4-carboxamide
CID 55996291

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide?
The IUPAC name of N-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide (CID 91959219) is N-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide is O=C(NCCCn1ncc2c(Cl)cccc21)C1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of N-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide?
The InChIKey is BUDHVCUIULINSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O2/c23-17-7-5-16(6-8-17)22(9-13-29-14-10-22)21(28)25-11-2-12-27-20-4-1-3-19(24)18(20)15-26-27/h1,3-8,15H,2,9-14H2,(H,25,28).
What are the key properties of N-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide?
N-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide has a molecular weight of 432.35 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloroindazol-1-yl)propyl]-4-(4-chlorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 91959219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).